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(2E)-1-(4-溴苯基)-3-(4-氟苯基)丙-2-烯-1-酮

(2E)-1-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

作者信息

Dutkiewicz Grzegorz, Veena K, Narayana B, Yathirajan H S, Kubicki Maciej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 30;66(Pt 5):o1243-4. doi: 10.1107/S1600536810015485.

Abstract

The title compound, C(15)H(10)BrFO, is isostructural with (2E)-1-(4-chloro-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one [Qiu et al. (2006 ▶). Acta Cryst. E62, o3525-o3526], but the structures of other dihalogen analogues, without fluorine, are different, although they are also isostructural within the series. The mol-ecule is approximately flat, the dihedral angle between the ring planes being 8.49 (13)°. In the crystal structure, inter-molecular C-H⋯O, C-H⋯F and C-H⋯Br hydrogen bonds link mol-ecules into V-shaped ribbons running parallel to [101] and stacked with an inter-planar distance of approximately 3.53 Å (centroid-vcentroid distance = 3.857 Å)..

摘要

标题化合物C(15)H(10)BrFO与(2E)-1-(4-氯苯基)-3-(4-氟苯基)丙-2-烯-1-酮[Qiu等人,(2006 ▶)。Acta Cryst. E62, o3525 - o3526]同构,但其他不含氟的二卤代类似物的结构不同,尽管它们在该系列内也同构。分子近似平面,环平面之间的二面角为8.49 (13)°。在晶体结构中,分子间的C-H⋯O、C-H⋯F和C-H⋯Br氢键将分子连接成平行于[101]的V形带,并以约3.53 Å的平面间距堆积(质心-质心距离 = 3.857 Å)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/685c/2979273/85379c520c6d/e-66-o1243-fig1.jpg

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